CID 106725

4,7-methano-1h-indene, 5-(diethoxymethyl)-3a,4,5,6,7,7a-hexahydro-

Structural Information

Molecular Formula
C15H24O2
SMILES
CCOC(C1CC2CC1C3C2CC=C3)OCC
InChI
InChI=1S/C15H24O2/c1-3-16-15(17-4-2)14-9-10-8-13(14)12-7-5-6-11(10)12/h5,7,10-15H,3-4,6,8-9H2,1-2H3
InChIKey
NFJHOPJJPMLCRF-UHFFFAOYSA-N
Compound name
9-(diethoxymethyl)tricyclo[5.2.1.02,6]dec-3-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

236.17763 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.18491 162.8
[M+Na]+ 259.16685 168.6
[M-H]- 235.17035 166.2
[M+NH4]+ 254.21145 188.4
[M+K]+ 275.14079 166.3
[M+H-H2O]+ 219.17489 158.9
[M+HCOO]- 281.17583 181.9
[M+CH3COO]- 295.19148 194.8
[M+Na-2H]- 257.15230 161.4
[M]+ 236.17708 165.1
[M]- 236.17818 165.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe